methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate

C23H20O5 — CID 36832775

IUPACmethyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC(=O)Cc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-21-14-16(9-12-22(24)27-2)8-11-20(21)28-23(25)15-17-7-10-18-5-3-4-6-19(18)13-17/h3-14H,15H2,1-2H3/b12-9+
InChIKeySRNFNLUVUSUZEB-FMIVXFBMSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds6

About methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate

methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate (PubChem CID 36832775) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate
PubChem CID36832775
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Namemethyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC(=O)Cc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-21-14-16(9-12-22(24)27-2)8-11-20(21)28-23(25)15-17-7-10-18-5-3-4-6-19(18)13-17/h3-14H,15H2,1-2H3/b12-9+
InChIKeySRNFNLUVUSUZEB-FMIVXFBMSA-N
XLogP4.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
[2-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
CID 91689888
[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 2-acetyloxybenzoate
CID 141046408
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 46530364
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 2,3-dihydroxypropanoate
CID 67782584
1-(3-hydroxy-4-methoxyphenyl)-7-naphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 68550038
methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 16764845
methyl 3-[4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-methoxyphenyl]prop-2-enoate
CID 175130473
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[(2-methylcyclopropanecarbonyl)amino]propanoate
CID 55670786
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55530493

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate (CID 36832775) is methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OC(=O)Cc2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate?
The InChIKey is SRNFNLUVUSUZEB-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-21-14-16(9-12-22(24)27-2)8-11-20(21)28-23(25)15-17-7-10-18-5-3-4-6-19(18)13-17/h3-14H,15H2,1-2H3/b12-9+.
What are the key properties of methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate?
methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate has a molecular weight of 376.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate is sourced from PubChem (CID 36832775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).